N-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]cyclopropanamine

C12H16F3N3 — CID 62746377

IUPACN-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCc1nc(CC(F)(F)F)nc(C)c1CNC1CC1
InChIInChI=1S/C12H16F3N3/c1-7-10(6-16-9-3-4-9)8(2)18-11(17-7)5-12(13,14)15/h9,16H,3-6H2,1-2H3
InChIKeyFGUIBENNGDRLBM-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.45
Rot. Bonds4

About N-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]cyclopropanamine

N-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 62746377) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID62746377
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC NameN-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCc1nc(CC(F)(F)F)nc(C)c1CNC1CC1
InChIInChI=1S/C12H16F3N3/c1-7-10(6-16-9-3-4-9)8(2)18-11(17-7)5-12(13,14)15/h9,16H,3-6H2,1-2H3
InChIKeyFGUIBENNGDRLBM-UHFFFAOYSA-N
XLogP2.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]cyclopropanamine (CID 62746377) is N-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]cyclopropanamine is Cc1nc(CC(F)(F)F)nc(C)c1CNC1CC1.
What is the InChIKey of N-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is FGUIBENNGDRLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c1-7-10(6-16-9-3-4-9)8(2)18-11(17-7)5-12(13,14)15/h9,16H,3-6H2,1-2H3.
What are the key properties of N-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]cyclopropanamine?
N-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 259.27 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62746377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).